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89082-04-2 | Ethanone, 1-(2-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-
CAS No: 89082-04-2 Catalog No: AG003ZP1 MDL No:
Product Description
Catalog Number:
AG003ZP1
Chemical Name:
Ethanone, 1-(2-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-
CAS Number:
89082-04-2
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
IUPAC Name:
1-(2-methylphenyl)-2-(1,2,4-triazol-1-yl)ethanone
InChI:
InChI=1S/C11H11N3O/c1-9-4-2-3-5-10(9)11(15)6-14-8-12-7-13-14/h2-5,7-8H,6H2,1H3
InChI Key:
OXBFTUBPIFWZJN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C)Cn1cncn1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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